N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

C14H13FN4S — CID 99697962

IUPACN-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2csc(NCc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H13FN4S/c1-19-8-11(7-17-19)13-9-20-14(18-13)16-6-10-2-4-12(15)5-3-10/h2-5,7-9H,6H2,1H3,(H,16,18)
InChIKeyUYUORCPHCYSQFI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 99697962) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID99697962
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCn1cc(-c2csc(NCc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C14H13FN4S/c1-19-8-11(7-17-19)13-9-20-14(18-13)16-6-10-2-4-12(15)5-3-10/h2-5,7-9H,6H2,1H3,(H,16,18)
InChIKeyUYUORCPHCYSQFI-UHFFFAOYSA-N
XLogP3.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 99697962) is N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is Cn1cc(-c2csc(NCc3ccc(F)cc3)n2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is UYUORCPHCYSQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-19-8-11(7-17-19)13-9-20-14(18-13)16-6-10-2-4-12(15)5-3-10/h2-5,7-9H,6H2,1H3,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 99697962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).